1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol

C11H14BrNO — CID 83913110

IUPAC1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
SMILESNCC1(O)CCCc2cc(Br)ccc21
InChIInChI=1S/C11H14BrNO/c12-9-3-4-10-8(6-9)2-1-5-11(10,14)7-13/h3-4,6,14H,1-2,5,7,13H2
InChIKeyAGVDOWNZCUCNKN-UHFFFAOYSA-N
MW256.14 g/mol
LogP1.93
Rot. Bonds1

About 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol

1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 83913110) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID83913110
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
SMILESNCC1(O)CCCc2cc(Br)ccc21
InChIInChI=1S/C11H14BrNO/c12-9-3-4-10-8(6-9)2-1-5-11(10,14)7-13/h3-4,6,14H,1-2,5,7,13H2
InChIKeyAGVDOWNZCUCNKN-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol (CID 83913110) is 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol is NCC1(O)CCCc2cc(Br)ccc21.
What is the InChIKey of 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is AGVDOWNZCUCNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-9-3-4-10-8(6-9)2-1-5-11(10,14)7-13/h3-4,6,14H,1-2,5,7,13H2.
What are the key properties of 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol?
1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 256.14 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 83913110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).